4-(2,4,6-trimethylphenyl)butan-2-amine

C13H21N — CID 62550210

IUPAC4-(2,4,6-trimethylphenyl)butan-2-amine
SMILESCc1cc(C)c(CCC(C)N)c(C)c1
InChIInChI=1S/C13H21N/c1-9-7-10(2)13(11(3)8-9)6-5-12(4)14/h7-8,12H,5-6,14H2,1-4H3
InChIKeyLMBMXUKPWSJKPG-UHFFFAOYSA-N
MW191.32 g/mol
LogP2.89
Rot. Bonds3

About 4-(2,4,6-trimethylphenyl)butan-2-amine

4-(2,4,6-trimethylphenyl)butan-2-amine (PubChem CID 62550210) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is 4-(2,4,6-trimethylphenyl)butan-2-amine.

Molecular Properties

Compound Name4-(2,4,6-trimethylphenyl)butan-2-amine
PubChem CID62550210
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name4-(2,4,6-trimethylphenyl)butan-2-amine
SMILESCc1cc(C)c(CCC(C)N)c(C)c1
InChIInChI=1S/C13H21N/c1-9-7-10(2)13(11(3)8-9)6-5-12(4)14/h7-8,12H,5-6,14H2,1-4H3
InChIKeyLMBMXUKPWSJKPG-UHFFFAOYSA-N
XLogP2.89
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclopropyl-3-(2,4,6-trimethylphenyl)propan-1-amine
CID 63354845
(2R)-4-(3-fluoro-5-methylphenyl)butan-2-amine
CID 131289439
(2R)-4-(2,4-dimethylphenyl)butan-2-amine
CID 95375920
1-(2,4,6-trimethylphenyl)heptan-4-amine
CID 64502731
(2S)-4-(3-chloro-5-methylphenyl)butan-2-amine
CID 130649433
(2R)-2-amino-N-[2-(2,4,6-trimethylphenyl)ethyl]propanamide
CID 94686299
4-(2,4,6-trimethylphenyl)butan-1-amine
CID 19966399
N-[2-(2,4,6-trimethylphenyl)ethyl]propan-2-amine
CID 62549698
(2R)-2-amino-N-[2-(2,4,6-trimethylphenyl)ethyl]propanamide;hydrochloride
CID 119288877
1-N,1-N-dimethyl-1-(2,4,6-trimethylphenyl)pentane-1,4-diamine
CID 116905573
2-(3-bromo-4-methoxybutyl)-1,3,5-trimethylbenzene
CID 62550417
2-butyl-1,3,5-trimethylbenzene
CID 527298

Frequently Asked Questions

What is the IUPAC name of 4-(2,4,6-trimethylphenyl)butan-2-amine?
The IUPAC name of 4-(2,4,6-trimethylphenyl)butan-2-amine (CID 62550210) is 4-(2,4,6-trimethylphenyl)butan-2-amine.
What is the SMILES notation for 4-(2,4,6-trimethylphenyl)butan-2-amine?
The canonical SMILES for 4-(2,4,6-trimethylphenyl)butan-2-amine is Cc1cc(C)c(CCC(C)N)c(C)c1.
What is the InChIKey of 4-(2,4,6-trimethylphenyl)butan-2-amine?
The InChIKey is LMBMXUKPWSJKPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N/c1-9-7-10(2)13(11(3)8-9)6-5-12(4)14/h7-8,12H,5-6,14H2,1-4H3.
What are the key properties of 4-(2,4,6-trimethylphenyl)butan-2-amine?
4-(2,4,6-trimethylphenyl)butan-2-amine has a molecular weight of 191.32 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4,6-trimethylphenyl)butan-2-amine is sourced from PubChem (CID 62550210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).